이름: (S)-2-amino-4-((1-(8-(2-methoxypyrimidin-5-yl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethyl)amino)pyrimidine-5-carbonitrile
SMILES:
COc1ncc(-c2cccc3cc([C@H](C)Nc4nc(N)ncc4C#N)n(-c4ccccc4)c(=O)c23)cn1Molecular Processing
Molecular formula
C27H22N8O2
Molecular weight
490.53
Exact mass
490.1866
XLogP
3.87
TPSA
144.63
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
37
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
140.32
Supplementary Information
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